SCHEMBL2133142

SCHEMBL2133142

CCCCC(S)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
FAAH O00519 1/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 3/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2134793 0.94 LMNA (0.48) LMNACA1FAAHZDHHC7
SCHEMBL2134621 0.88 LMNA (0.39) LMNACA2CA1FAAHTSHR
SCHEMBL27874367 0.82 CA2 (0.40) LMNACA2CA1FAAHTSHR
SCHEMBL2136038 0.81 CA2 (0.45) LMNACA2CA1TSHRCYP3A4
SCHEMBL20483654 0.81 CA2 (0.45) CA2CA1TSHRCYP3A4ATM
SCHEMBL11358572 0.81 FAAH (0.46) LMNACA1FAAHZDHHC7
SCHEMBL2134701 0.80 CA2 (0.41) CA2CA1TSHRCYP3A4ATM
SCHEMBL746613 0.79 ALDH1A1 (0.52) LMNACA2CA1TSHRCYP3A4
SCHEMBL2133854 0.79 ALDH1A1 (0.52) LMNACA2CA1TSHRCYP3A4
SCHEMBL6900329 0.79 LMNA (0.48) LMNACA2CA1FAAHTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471252-B Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-103709079-A Process for preparation of (fluoroalkylthio)acetic acid esters MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH 2014-04-09 CN disclosed
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
CN-102471252-A Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 LMNA 4769/4885CA2 737/4885CA1 617/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.